Geometry & MOs

Info

ID:	332519
PubChem CID:	127250805
Reduced:	ClO3N5C22H26 (1)
Stoich.:	AB3C5D22E26 (1)
Weight, g/mol:	445.192546
ΔH_f, kcal/mol:	-49.32
Dipole, Da:	5.46
IP(EA), eV:	-9.13(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-3-(2-methylimidazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NC=CN1CCC(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC(=CC=C4)Cl

DOS

IR

Vibrations